6CR0

1.55 A resolution structure of (S)-6-hydroxynicotine oxidase from Shinella HZN7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	96.282, 96.282, 78.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.516 - 1.548
R-factor	0.1505
Rwork	0.149
R-free	0.18510
Structure solution method	SAD
Starting model (for MR)	crank2 SAD solution
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	CRANK2
Refinement software	PHENIX (dev_3080)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.140	48.140	1.570
High resolution limit [Å]	1.548	8.480	1.550
Rmerge	0.069	0.056	1.349
Number of reflections	61448	431	2945
<I/σ(I)>	17
Completeness [%]	99.8	99.4	97.2
Redundancy	9.9	8.8	9
CC(1/2)	0.999	0.995	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.05 M calcium acetate, 0.1 M sodium cacodylate, 25 % (v/v) MPD